Time
(UK/BST/UTC+1) | Title and Speaker |
| 10.00 | Welcome and Introduction to the Day
Andreas Bender, Centre for Molecular Informatics, University of Cambridge and Clinical Pharmacology & Safety Sciences, Data Science & AI, AstraZeneca |
| | |
| | Session 1 |
| 10.10 | Improving Regulatory Acceptance of in Silico Predictions for Toxicity - Where We Are and Where We Could Go (pdf)
Mark Cronin, Liverpool John Moores University |
| 10.35 | Predicting Efficacy and Toxicity of Immune Checkpoint Inhibitors
Daniele Biasci, MRC Toxicology Unit, Cambridge University |
| 11.00 | Towards Improved Safety and Efficacy Profiles of Compounds by Predicting In Vivo Pharmacokinetics using Machine Learning (pdf)
Olga Obrezanova, Clinical Pharmacology & Safety Sciences, Data Science & AI, AstraZeneca |
| 11.25 | Flash Poster Session 1 |
| | Experiences of predicting acute toxicity in industry (poster pdf, slides pdf)
Richard Marchese-Robinson, Syngenta |
| | Chemical Representation Learning for Toxicity Prediction (pdf, recording)
Jannis Born, ETH Zurich |
| | Can we determine thresholds of developmental adversity in thyroid hormone signalling using mathematical modelling?
Terence Allen, Liverpool John Moores University |
| | Developmental Toxicity: A Difficult End-Point to Model
Prashant Kharkar, ICT Mumbai |
| | Developing Federated QSAR models for secondary pharmacology (pdf)
Jeffrey Plante, Lhasa Ltd. |
| | In Silico Models to Predict the Disturbance of Thyroid Hormone Homeostasis (pdf)
Marina Garcia de Lomana, BASF and Vienna University |
| | Gene Co-expression analysis in Toxicogenomics (pdf)
Danilo Basili, Centre for Molecular Informatics, University of Cambridge |
| 12.00 | Lunch Break |
| | |
| | Session 2 |
| 12.30 | How Drugs Interact with our Bugs
Kiran Patil, MRC Toxicology Unit | |
| 12.55 | The Role of in Silico Toxicology to Meet the Challenge of Vertebrate-Free Safety assessments for Agrochemicals (pdf)
Richard Currie/Sarah Whalley, Syngenta |
| 13.15 | The Role of Bioinformatics in Predicting Human Health Hazards for Agrochemicals (pdf)
Richard Currie/Sarah Whalley, Syngenta |
| 13.45 | Evaluating New Approach Methodologies for Consumer-Based Risk Assessment: Challenges and Future Perspectives
Alistair Middleton, Unilever SEAC |
| 14.10 | Linking Evidence With AOPs To Produce Integrated Approaches to Testing and Assessment (IATA): The Theory And The Practice (pdf)
Alex Cayley, Lhasa Ltd. |
| 14.35 | Flash Poster Session 2 |
| | Imputation of in vitro troxicity data (poster pdf, slides pdf)
Moritz Walter, University of Sheffield |
| | Damage and toxicity in our DNA: mapping abasic sites at base resolution (pdf)
Sergio Martinez Cuesta, Cancer Research UK Cambridge Institute |
| | In silico approaches in organ toxicity hazard assessment: current status and future needs (pdf)
Arianna Bassan, Innovatune |
| | Predicting adverse effects of compounds based on high content imaging of cells (pdf)
Ola Spjuth, Uppsala University |
| | A cheminformatics read-across workflow for UVCB with a constituent-based approach (pdf)
Elena Fioravanzo, Toxnavigation |
| | Toxicity data curation of approved drugs in ChEMBL (pdf)
Fiona Hunter, European Bioinformatics Institute |
| | Deriving parameters from cardiomyocyte calcium transient in human-induced pluripotent stem cell-derived cardiomyocytes and its a
(pdf)
Hongbin Yang, Centre for Molecular Informatics, University of Cambridge |
| 15.10 | Tea Break |
| | |
| | Session 3 |
| 15.30 | The Use of Pre-Clinical Data Standardisation (pdf)
Phil Drew, PDS Consultants |
| 15.55 | Identifying Potential Biomarkers of Drug-Induced Vascular Injury (DIVI) in Rats from Gene Expression and Histopathology Data
Anika Liu, Centre for Molecular Informatics, University of Cambridge |
| 16.20 | Evaluating Chemical Safety Using High-Throughput Transcriptomics
Imran Shah, Environmental Protection Agency (EPA) |
| 16.45 | Flash Poster Session 3 |
| | OpenDMPK: an open source toolkit for prediction of Drug Metabolism and Pharmacokinetic Properties (pdf)
Suman Sirimulla, University of Texas at El Paso |
| | Grouping based on composition of mixture
Mihir Date, Research Institute for Fragrance Materials |
| | Structure-Based Predictions of CYP Selectivity, Reactivity, and Sites of Metabolism (pdf)
Michael Drummond, Chemical Computing Group |
| | Large-scale Prediction of Acute Toxicity using Multi-Task Deep Learning not presenting
Sankalp Jain, NIH/NCATS |
| | Using cellular morphological features to predict cytotoxicity- and proliferation-related in vitro endpoints
Srijit Seal, Centre for Molecular Informatics, University of Cambridge |
| | In silico methods for skin senstization, trends and future possibilities
Svava Osk Jonsdottir, insilTox |
| | Machine Learning and AI for Predicting hERG Channel Inhibition in the Big Data Era not presenting
Vishal Babu Siramshetty, NIH/NCATS |
| 17.30 | Summary and Conference Close |
